UCSF

ZINC41473007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 7.82 -27.62 2 3 1 39 276.363 3
Lo Low (pH 4.5-6) 3.02 8.28 -75.63 3 3 2 40 277.371 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )